| SpectraBase Spectrum ID |
DHaa6nxbqwm |
| Name |
3,3'-Anhydro-3-C-hydroxymethyl-1,2;4,5-di-o-isopropylidene-.beta.,D-psicopyranose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.125988358 u |
| Formula |
C13H20O6 |
| InChI |
InChI=1S/C13H20O6/c1-10(2)15-7-13(19-10)12(6-16-12)9-8(5-14-13)17-11(3,4)18-9/h8-9H,5-7H2,1-4H3/t8-,9?,12?,13+/m1/s1 |
| InChIKey |
ZOSVMZGWRDWMHR-NFNIOBPHSA-N |
| Molecular Weight |
272.297 g/mol |
| SMILES |
C12([C@]3(OC(C)(C)OC3)OC[C@@]3(C1OC(C)(C)O3)[H])OC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921173 |
